N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

C14H32N2O — CID 81068895

IUPACN-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-5-6-7-8-9-15-10-11-16(4)12-13-17-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyGGTLVYPGSORUEQ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds12

About N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine

N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (PubChem CID 81068895) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
PubChem CID81068895
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-5-6-7-8-9-15-10-11-16(4)12-13-17-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyGGTLVYPGSORUEQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The IUPAC name of N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine (CID 81068895) is N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is CCCCCCNCCN(C)CCOC(C)C.
What is the InChIKey of N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The InChIKey is GGTLVYPGSORUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-6-7-8-9-15-10-11-16(4)12-13-17-14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 81068895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).